Ghent University Academic Bibliography

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Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates

Paschalis Paraskevas (UGent) , Maarten Sabbe (UGent) , Marie-Françoise Reyniers (UGent) , NG Papayannakos and Guy Marin (UGent)

(2016) AICHE JOURNAL. 62(3). p.802-814
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Automatic mechanism and kinetic model generation: a perspective on best practices, recent advances, and future challenges

Ruben Van de Vijver (UGent) , Nick Vandewiele (UGent) , PL Bhoorasingh, BL Slakman, FS Khanshan, Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) , R West and Kevin Van Geem (UGent)

(2015) INTERNATIONAL JOURNAL OF CHEMICAL KINETICS. 47(4). p.199-231
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Kinetic modeling of a-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms

Paschalis Paraskevas (UGent) , Maarten Sabbe (UGent) , Marie-Françoise Reyniers (UGent) , N Papayannakos and Guy Marin (UGent)

(2014) JOURNAL OF PHYSICAL CHEMISTRY A. 118(40). p.9296-9309
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- journalArticle
- A1
- open access
Kinetics of alpha hydrogen abstractions in thiols, sulfides and thiocarbonyl compounds

Aäron Vandeputte (UGent) , Maarten Sabbe (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)

(2012) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 14(37). p.12773-12793
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First principle-based simulation of ethane steam cracking

Maarten Sabbe (UGent) , Kevin Van Geem (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)

(2011) AICHE JOURNAL. 57(2). p.482-496
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Hydrogenated amorphous silicon nanostructures: novel structure–reactivity relationships for cyclization and ring opening in the gas phase

Andrew Adamczyck, Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Linda J Broadbelt

(2011) THEORETICAL CHEMISTRY ACCOUNTS. 128(1). p.91-113
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Theoretical study of the thermal decomposition of dimethyl disulfide

Aäron Vandeputte (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)

(2010) JOURNAL OF PHYSICAL CHEMISTRY A. 114(39). p.10531-10549
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Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis

Andrew Adamczyk (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Linda J Broadbelt

(2010) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 12(39). p.12676-12696
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Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions

Maarten Sabbe (UGent) , Aäron Vandeputte (UGent) , Marie-Françoise Reyniers (UGent) , Michel Waroquier (UGent) and Guy Marin (UGent)

(2010) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 12(6). p.1278-1298
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- journalArticle
- A1
- open access
Hydrogen radical additions to unsaturated hydrocarbons and the reverse β-scission reactions: modeling of activation energies and pre-exponential factors

Maarten Sabbe (UGent) , Marie-Françoise Reyniers (UGent) , Michel Waroquier (UGent) and Guy Marin (UGent)

(2010) CHEMPHYSCHEM. 11(1). p.195-210

Academic Bibliography

Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates

Automatic mechanism and kinetic model generation: a perspective on best practices, recent advances, and future challenges

Kinetic modeling of a-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms

Kinetics of alpha hydrogen abstractions in thiols, sulfides and thiocarbonyl compounds

First principle-based simulation of ethane steam cracking

Hydrogenated amorphous silicon nanostructures: novel structure–reactivity relationships for cyclization and ring opening in the gas phase

Theoretical study of the thermal decomposition of dimethyl disulfide

Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis

Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions

Hydrogen radical additions to unsaturated hydrocarbons and the reverse β-scission reactions: modeling of activation energies and pre-exponential factors

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